5-(2-butyloxetan-2-yl)pentan-1-ol

C12H24O2 — CID 68634835

IUPAC5-(2-butyloxetan-2-yl)pentan-1-ol
SMILESCCCCC1(CCCCCO)CCO1
InChIInChI=1S/C12H24O2/c1-2-3-7-12(9-11-14-12)8-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyFJMDXMQIZDYQKE-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds8

About 5-(2-butyloxetan-2-yl)pentan-1-ol

5-(2-butyloxetan-2-yl)pentan-1-ol (PubChem CID 68634835) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-(2-butyloxetan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-butyloxetan-2-yl)pentan-1-ol
PubChem CID68634835
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-(2-butyloxetan-2-yl)pentan-1-ol
SMILESCCCCC1(CCCCCO)CCO1
InChIInChI=1S/C12H24O2/c1-2-3-7-12(9-11-14-12)8-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyFJMDXMQIZDYQKE-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethyloxetan-2-yl)hexan-1-ol
CID 68634810
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
decan-1-ol;hydrofluoride
CID 158778674
2-hexadecyl-2-tetradecyloxirane
CID 71421731
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyloxetan-2-yl)pentan-1-ol?
The IUPAC name of 5-(2-butyloxetan-2-yl)pentan-1-ol (CID 68634835) is 5-(2-butyloxetan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(2-butyloxetan-2-yl)pentan-1-ol?
The canonical SMILES for 5-(2-butyloxetan-2-yl)pentan-1-ol is CCCCC1(CCCCCO)CCO1.
What is the InChIKey of 5-(2-butyloxetan-2-yl)pentan-1-ol?
The InChIKey is FJMDXMQIZDYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-7-12(9-11-14-12)8-5-4-6-10-13/h13H,2-11H2,1H3.
What are the key properties of 5-(2-butyloxetan-2-yl)pentan-1-ol?
5-(2-butyloxetan-2-yl)pentan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyloxetan-2-yl)pentan-1-ol is sourced from PubChem (CID 68634835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).